2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C24H17Cl3N4O2S — CID 11443975

IUPAC2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H17Cl3N4O2S/c1-30(13-17-4-2-3-11-28-17)23(33)21-14-34-24(29-21)31(18-8-5-15(25)6-9-18)22(32)19-10-7-16(26)12-20(19)27/h2-12,14H,13H2,1H3
InChIKeyUFPKZJZOUNFSBM-UHFFFAOYSA-N
MW531.85 g/mol
LogP6.75
Rot. Bonds6

About 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 11443975) has the molecular formula C24H17Cl3N4O2S and a molecular weight of 531.85 g/mol. Its IUPAC name is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID11443975
Molecular FormulaC24H17Cl3N4O2S
Molecular Weight531.85 g/mol
Exact Mass530.01
IUPAC Name2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H17Cl3N4O2S/c1-30(13-17-4-2-3-11-28-17)23(33)21-14-34-24(29-21)31(18-8-5-15(25)6-9-18)22(32)19-10-7-16(26)12-20(19)27/h2-12,14H,13H2,1H3
InChIKeyUFPKZJZOUNFSBM-UHFFFAOYSA-N
XLogP6.75
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.85
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 59712036
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-diethyl-1,3-thiazole-4-carboxamide
CID 11363687
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 11307023
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 11410120
2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 59712077
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389821
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide
CID 59712054
2,4-dichloro-N-(4-chlorophenyl)-N-[4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 59712047
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 59712055
5-chloro-N-methyl-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167870

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 11443975) is 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is CN(Cc1ccccn1)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UFPKZJZOUNFSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3N4O2S/c1-30(13-17-4-2-3-11-28-17)23(33)21-14-34-24(29-21)31(18-8-5-15(25)6-9-18)22(32)19-10-7-16(26)12-20(19)27/h2-12,14H,13H2,1H3.
What are the key properties of 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 531.85 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11443975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).